SCHEMBL2954979

SCHEMBL2954979

Nc1cc(C(=O)NNC(=O)Cc2cccc(O)c2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
PLAU P00749 1/20 0.45
ELANE P08246 1/20 0.45
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTBP2 P56545 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13199129 0.86 ALDH1A1 (0.57) ALDH1A1KDM4EHTTTDP1MEN1
SCHEMBL13199261 0.85 CA2 (0.50) ALDH1A1KDM4EHTTTDP1MEN1
SCHEMBL13199258 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EHTTTDP1MEN1
SCHEMBL13199110 0.84 KDM4E (0.55) ALDH1A1KDM4EHTTTDP1MEN1
SCHEMBL14098308 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EHTTTDP1MEN1
SCHEMBL13199260 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHTTTDP1MEN1
SCHEMBL13199231 0.81 TDP1 (0.62) ALDH1A1KDM4EHTTTDP1MEN1
SCHEMBL2961298 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AGCGR
SCHEMBL14098549 0.81 PDCD1 (0.45) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL13199199 0.81 NLRP3 (0.56) ALDH1A1KDM4EHTTTDP1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767716-B2 Acyl hydrazines as kinase inhibitors, in particular for SGK MERCK PATENT GMBH (DE) 2010-08-03 US disclosed
US-7767716-B2 Acyl hydrazines as kinase inhibitors, in particular for SGK MERCK PATENT GMBH (DE) 2010-08-03 US disclosed
US-7767716-B2 Acyl hydrazines as kinase inhibitors, in particular for SGK MERCK PATENT GMBH (DE) 2010-08-03 US disclosed
EP-1866280-B1 ACYL HYDRAZIDES AS KINASE INHIBITORS, IN PARTICULAR FOR SGK MERCK PATENT GMBH (DE) 2008-08-13 EP disclosed
US-20080167380-A1 Acyl Hydrazines as Kinase Inhibitors, in Particular for Sgk MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080167380-A1 Acyl Hydrazines as Kinase Inhibitors, in Particular for Sgk MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080167380-A1 Acyl Hydrazines as Kinase Inhibitors, in Particular for Sgk MERCK PATENT GMBH (DE) 2008-07-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080167380-A1 Acyl Hydrazines as Kinase Inhibitors, in Particular for Sgk SGK1, AGK, SGK2 ALDH1A1 1664/4885KDM4E 1312/4885HTT 2356/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.